4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3,5-dimethylbenzenesulfonamide

C19H25NO4S — CID 112823035

IUPAC4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3,5-dimethylbenzenesulfonamide
SMILESCCC(NS(=O)(=O)c1cc(C)c(OC)c(C)c1)c1ccc(OC)cc1
InChIInChI=1S/C19H25NO4S/c1-6-18(15-7-9-16(23-4)10-8-15)20-25(21,22)17-11-13(2)19(24-5)14(3)12-17/h7-12,18,20H,6H2,1-5H3
InChIKeyNBYJNRKLSCIHLC-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.75
Rot. Bonds7

About 4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3,5-dimethylbenzenesulfonamide

4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3,5-dimethylbenzenesulfonamide (PubChem CID 112823035) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is 4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3,5-dimethylbenzenesulfonamide
PubChem CID112823035
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC Name4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3,5-dimethylbenzenesulfonamide
SMILESCCC(NS(=O)(=O)c1cc(C)c(OC)c(C)c1)c1ccc(OC)cc1
InChIInChI=1S/C19H25NO4S/c1-6-18(15-7-9-16(23-4)10-8-15)20-25(21,22)17-11-13(2)19(24-5)14(3)12-17/h7-12,18,20H,6H2,1-5H3
InChIKeyNBYJNRKLSCIHLC-UHFFFAOYSA-N
XLogP3.75
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide
CID 43904682
4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide
CID 40753625
methyl 5-[1-(4-methoxyphenyl)propylsulfamoyl]-2-methylbenzoate
CID 133161339
4-methoxy-3,5-dimethyl-N-pentan-3-ylbenzenesulfonamide
CID 112822948
N-[1-(4-methoxyphenyl)propyl]-1H-pyrazole-4-sulfonamide
CID 61248597
4-methoxy-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769242
4-methoxy-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769240
4-[1-(4-methoxyphenyl)propylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 146121429
N-[1-(4-butan-2-ylphenyl)propyl]-2,4-dimethoxybenzenesulfonamide
CID 22201208
4-methoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethylbenzenesulfonamide
CID 112823084
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide
CID 133160247
(3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 674533

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3,5-dimethylbenzenesulfonamide (CID 112823035) is 4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3,5-dimethylbenzenesulfonamide is CCC(NS(=O)(=O)c1cc(C)c(OC)c(C)c1)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3,5-dimethylbenzenesulfonamide?
The InChIKey is NBYJNRKLSCIHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-6-18(15-7-9-16(23-4)10-8-15)20-25(21,22)17-11-13(2)19(24-5)14(3)12-17/h7-12,18,20H,6H2,1-5H3.
What are the key properties of 4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3,5-dimethylbenzenesulfonamide?
4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3,5-dimethylbenzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 112823035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).